F232-0776 Screening compound: 4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

F232-0776 Screening compound: 4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one
F232-0776 Screening compound: 4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F232-0776
4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F232-0776

Molecular Formula

C25H21NO6S (C25 H21 NO6 S)

Compound Name

4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(4-methylphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(benzenesulfonyl)-1-[(2H-13-benzodioxol-5-yl)methyl]-3-hydroxy-5-(4-methylphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1ccc(C(C(S(c2ccccc2)(=O)=O)=C2O)N(Cc(cc3)cc4c3OCO4)C2=O)cc1

InChI

InChI=1S/C25H21NO6S/c1-16-7-10-18(11-8-16)22-24(33(29,30)19-5-3-2-4-6-19)23(27)25(28)26(22)14-17-9-12-20-21(13-17)32-15-31-20/h2-13,22,27H,14-15H2,1H3/t22-/m1/s1

InChI Key

RACYXWYOBWXLCB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27109077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-3.89

Polar Surface Area

77.976

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-7.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

F232-0776 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F232-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F232-0776?
Check Price and Availability of F232-0776, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F232-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F232-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F232-0776
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F232-0776 available by request